Molecule
ID:108399
General Information
Molecular Formula
C₅H₁₁N₃O₂
Molecular Mass
145.15974
Exact Mass
145.08512661
Charge
0
InChI
InChI=1S/C5H11N3O2/c1-7-5(10)3-8-4(9)2-6/h2-3,6H2,1H3,(H,7,10)(H,8,9)
InChIKey
BWGVNKXGVNDBDI-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NCC(=O)NC
Isomeric Smiles
CNC(=O)CNC(=O)CN
Calculated Properties
JChem
Acid pKa
12.86687
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-5.0969715
LogD (pH = 7.4)
-3.4086812
Log P
-2.8360252
Molar Refractivity
35.5258
Polarizability
13.9598465
Polar Surface Area
84.22
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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